5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide

C11H13BrN2O3 — CID 136516861

IUPAC5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CO)COC1)c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-9(13-3-8)10(16)14-4-11(5-15)6-17-7-11/h1-3,15H,4-7H2,(H,14,16)
InChIKeyNVYCSJMGCLXCOQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.58
Rot. Bonds4

About 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide

5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 136516861) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
PubChem CID136516861
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CO)COC1)c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-9(13-3-8)10(16)14-4-11(5-15)6-17-7-11/h1-3,15H,4-7H2,(H,14,16)
InChIKeyNVYCSJMGCLXCOQ-UHFFFAOYSA-N
XLogP0.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79039270
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 154869565
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide (CID 136516861) is 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide is O=C(NCC1(CO)COC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is NVYCSJMGCLXCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-1-2-9(13-3-8)10(16)14-4-11(5-15)6-17-7-11/h1-3,15H,4-7H2,(H,14,16).
What are the key properties of 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide?
5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 136516861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).